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Title: Materials Data on Ca2GeN2 by Materials Project

Abstract

Ca2GeN2 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing CaN5 trigonal bipyramids. There are a spread of Ca–N bond distances ranging from 2.40–2.61 Å. In the second Ca2+ site, Ca2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing CaN5 square pyramids. There are a spread of Ca–N bond distances ranging from 2.42–2.59 Å. Ge2+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.87 Å) and one longer (1.90 Å) Ge–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Ca2+ and one Ge2+ atom to form a mixture of distorted edge and corner-sharing NCa5Ge octahedra. The corner-sharing octahedra tilt angles range from 7–60°. In the second N3- site, N3- is bonded to five Ca2+ and one Ge2+ atom to form a mixture of edge and corner-sharing NCa5Ge octahedra. The corner-sharing octahedra tilt angles range from 7–60°.

Publication Date:
Other Number(s):
mp-29809
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ca2GeN2; Ca-Ge-N
OSTI Identifier:
1204264
DOI:
https://doi.org/10.17188/1204264

Citation Formats

The Materials Project. Materials Data on Ca2GeN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204264.
The Materials Project. Materials Data on Ca2GeN2 by Materials Project. United States. doi:https://doi.org/10.17188/1204264
The Materials Project. 2020. "Materials Data on Ca2GeN2 by Materials Project". United States. doi:https://doi.org/10.17188/1204264. https://www.osti.gov/servlets/purl/1204264. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1204264,
title = {Materials Data on Ca2GeN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2GeN2 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing CaN5 trigonal bipyramids. There are a spread of Ca–N bond distances ranging from 2.40–2.61 Å. In the second Ca2+ site, Ca2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing CaN5 square pyramids. There are a spread of Ca–N bond distances ranging from 2.42–2.59 Å. Ge2+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.87 Å) and one longer (1.90 Å) Ge–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Ca2+ and one Ge2+ atom to form a mixture of distorted edge and corner-sharing NCa5Ge octahedra. The corner-sharing octahedra tilt angles range from 7–60°. In the second N3- site, N3- is bonded to five Ca2+ and one Ge2+ atom to form a mixture of edge and corner-sharing NCa5Ge octahedra. The corner-sharing octahedra tilt angles range from 7–60°.},
doi = {10.17188/1204264},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}